(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine

C19H23FN2O — CID 92595912

IUPAC(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O/c1-23-15-10-8-14(9-11-15)13-22-12-4-7-18(21)19(22)16-5-2-3-6-17(16)20/h2-3,5-6,8-11,18-19H,4,7,12-13,21H2,1H3/t18-,19+/m1/s1
InChIKeySZRWYSWDPANRDT-MOPGFXCFSA-N
MW314.40 g/mol
LogP3.50
Rot. Bonds4

About (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine

(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 92595912) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID92595912
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O/c1-23-15-10-8-14(9-11-15)13-22-12-4-7-18(21)19(22)16-5-2-3-6-17(16)20/h2-3,5-6,8-11,18-19H,4,7,12-13,21H2,1H3/t18-,19+/m1/s1
InChIKeySZRWYSWDPANRDT-MOPGFXCFSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine (CID 92595912) is (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine is COc1ccc(CN2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is SZRWYSWDPANRDT-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-15-10-8-14(9-11-15)13-22-12-4-7-18(21)19(22)16-5-2-3-6-17(16)20/h2-3,5-6,8-11,18-19H,4,7,12-13,21H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine?
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 314.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 92595912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).